7HR0
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z607808530
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-17 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 99.471, 99.489, 128.749 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.010 - 1.490 |
| R-factor | 0.2266 |
| Rwork | 0.226 |
| R-free | 0.24660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.750 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.154 | 3.325 |
| Rmeas | 0.160 | 3.522 |
| Rpim | 0.044 | 1.151 |
| Total number of observations | 1325840 | 46467 |
| Number of reflections | 103936 | 5021 |
| <I/σ(I)> | 10.1 | 0.4 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.8 | 9.3 |
| CC(1/2) | 0.998 | 0.327 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.85 | 293 | 0.1M MES pH 6.85, 1.6M Ammonium sulfate |
